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CS-W001157 4
Total: USD 88.00

1H-Indol-4-yl acetate

  • CAS No. 5585-96-6

  • Cat. No. CS-W017456
  • Molecule weight175.19
  • Purity≥97%
  • MDL No.MFCD00010678

*For research and further manufacturing use only, not for direct human use.

1H-Indol-4-yl acetate|CS-W017456

Structure of 5585-96-6

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General Information

  • CAS No. 5585-96-6
  • Cat. No. CS-W017456
  • Purity ≥97%
  • MDL No. MFCD00010678
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.19
  • Synonym(s) 4-Acetoxyindole
  • SMILES CC(=O)OC1=C2C=CNC2=CC=C1

Application

1H-Indol-4-yl acetate serves as a stable, bench-ready building block for the synthesis of indole-based pharmaceutical intermediates and functionalized heterocycles. Its acetylated indole core enables straightforward deprotection and further derivatization via electrophilic substitution or transition-metal-catalyzed coupling reactions, offering reliable access to bioactive scaffolds with enhanced solubility and handling advantages in multi-step syntheses.

Synthesis

  • Route1
    • In-stock
      4-Hydroxyindole|CS-D1727
      2380-94-1
    • null|null
      108-24-7
    • ~98%
    • In-stock
      1H-Indol-4-yl acetate|CS-W017456
      5585-96-6

    References

    • Singh, Jasbir; Zeller, Wayne; Zhou, Nian; Hategan, Georgeta; Mishra, Rama K.; Polozov, Alex; Yu, Peng; Onua, Emmanuel; Zhang, Jun; Ramirez, Jose L.; Sigthorsson, Gudmundur; Thorsteinnsdottir, Margret; Kiselyov, Alex S.; Zembower, David E.; Andresson, Thorkell; Gurney, Mark E. Journal of Medicinal Chemistry, 2010 , vol. 53, # 1 p. 18 - 36

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.0932
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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